SCHEMBL8885801

SCHEMBL8885801

CCOc1ccc2[nH]c(=O)n(C(C)(C)CC(C)(C)C)c2c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.47
▸ MAPT P10636 2/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ MAOB P27338 7/20 0.43
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ TSHR P16473 1/20 0.42
▸ HPGD P15428 5/20 0.40
▸ PSMB8 P28062 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ POLB P06746 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8884451 0.86 HSD17B10 (0.46) HSD17B10MAPTESR2MAOBALDH1A1
SCHEMBL16997512 0.72 PDE3B (0.45) HSD17B10MAPTMAOBALDH1A1KDM4E
SCHEMBL891520 0.71 MAOB (0.53) HSD17B10MAPTESR2MAOBALDH1A1
SCHEMBL14923238 0.70 MAOB (0.53) HSD17B10MAPTESR2MAOBALDH1A1
SCHEMBL8886041 0.70 ATM (0.50) HSD17B10MAPTESR2MAOBALDH1A1
SCHEMBL8883187 0.69 OPRM1 (0.54) HSD17B10MAPTESR2ALDH1A1
SCHEMBL14906619 0.68 HSD17B10 (0.46) HSD17B10MAPTESR2MAOBALDH1A1
SCHEMBL8882891 0.68 OPRM1 (0.53) HSD17B10MAPTESR2ALDH1A1KDM4E
SCHEMBL8885794 0.68 KDM4E (0.49) HSD17B10MAPTESR2MAOBALDH1A1
SCHEMBL8885548 0.68 OPRM1 (0.53) HSD17B10MAPTESR2ALDH1A1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5661169-A HAVE AFFINITY FOR VASOPRESSIN AND/OR OXYTOCIN RECEPTORS SANOFI (FR) 1997-08-26 — — US disclosed
US-5585394-A INHIBITOR, ANTAGONIST OF VASOPRESSIN OR OXYTOCIN SANOFI (FR) 1996-12-17 — — US disclosed
EP-0694536-A1 1-Benzyl-1,3-dihydro-2H-benzimidazol-2-one derivatives, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-01-31 — — EP disclosed
EP-0636614-A1 Derivatives of 1-benzenesulfonyl-1,3-dihydro-2H-benzimidazol-2-one, their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-02-01 — — EP disclosed
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